Bending-induced phase transition in monolayer black phosphorus
文献类型：期刊论文
| 作者 | Pan DX ; Wang ZQ(王自强); Guo WL
|
| 刊名 | CHINESE PHYSICS B
 |
| 出版日期 | 2015-08 |
| 卷号 | 24期号:8页码:86401 |
| 通讯作者邮箱 | pandx@lnm.imech.ac.cn |
| 关键词 | bending monolayer black phosphorus phase transition |
| ISSN号 | 1674-1056 |
| 产权排序 | [Pan Dou-Xing; Wang Tzu-Chiang] Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China; [Guo Wan-Lin] Nanjing Univ Aeronaut & Astronaut, State Key Lab Mech & Control Mech Structures, MOE, Nanjing 210016, Jiangsu, Peoples R China; [Guo Wan-Lin] Nanjing Univ Aeronaut & Astronaut, Key Lab Intelligent Nano Mat & Devices, MOE, Nanjing 210016, Jiangsu, Peoples R China; [Pan Dou-Xing] Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
| 通讯作者 | Pan, DX (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China. |
| 中文摘要 | Bending-induced phase transition in monolayer black phosphorus is investigated through first principles calculations. By wrapping the layer into nanotubes along armchair and zigzag directions with different curvatures, it is found that phase transitions of the tubes occur when radius of curvature is smaller than 5 angstrom in bending along the zigzag direction, while the tubes remain stable along the armchair direction. Small zigzag tubes with odd numbered monolayer unit cells tend to transfer toward armchair-like phases, but the tubes with even numbered monolayer unit cells transfer into new complex bonding structures. The mechanism for the bending-induced phase transition is revealed by the comprehensive analyses of the bending strain energies, electron density distributions, and band structures. The results show significant anisotropic bending stability of black phosphorus and should be helpful for its mechanical cleavage fabrication in large size. |
| 分类号 | 二类/Q2 |
| 类目[WOS] | Physics, Multidisciplinary |
| 研究领域[WOS] | Physics |
| 关键词[WOS] | TOTAL-ENERGY CALCULATIONS ; AUGMENTED-WAVE METHOD ; MOLECULAR-DYNAMICS ; FULLERENE TUBULES ; CARBON NANOTUBES ; BASIS-SET ; METALS |
| 收录类别 | SCI ; EI ; CSCD |
| 原文出处 | http://dx.doi.org/10.1088/1674-1056/24/8/086401 |
| 语种 | 英语 |
| WOS记录号 | WOS:000361906000056 |
| 源URL | [http://dspace.imech.ac.cn/handle/311007/58411]  |
| 专题 | 力学研究所_非线性力学国家重点实验室 |
| 推荐引用方式 GB/T 7714 | Pan DX,Wang ZQ,Guo WL. Bending-induced phase transition in monolayer black phosphorus[J]. CHINESE PHYSICS B,2015,24(8):86401. |
| APA | Pan DX,王自强,&Guo WL.(2015).Bending-induced phase transition in monolayer black phosphorus.CHINESE PHYSICS B,24(8),86401. |
| MLA | Pan DX,et al."Bending-induced phase transition in monolayer black phosphorus".CHINESE PHYSICS B 24.8(2015):86401. |
入库方式： OAI收割
来源：力学研究所
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